5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one

C19H23NO2 — CID 19600108

IUPAC5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one
SMILESO=C1c2ccoc2CCN1CCCCCCc1ccccc1
InChIInChI=1S/C19H23NO2/c21-19-17-12-15-22-18(17)11-14-20(19)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12,15H,1-2,4,7-8,11,13-14H2
InChIKeyQVACKHHEVNHJJH-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.08
Rot. Bonds7

About 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one

5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one (PubChem CID 19600108) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one
PubChem CID19600108
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one
SMILESO=C1c2ccoc2CCN1CCCCCCc1ccccc1
InChIInChI=1S/C19H23NO2/c21-19-17-12-15-22-18(17)11-14-20(19)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12,15H,1-2,4,7-8,11,13-14H2
InChIKeyQVACKHHEVNHJJH-UHFFFAOYSA-N
XLogP4.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one?
The IUPAC name of 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one (CID 19600108) is 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one is O=C1c2ccoc2CCN1CCCCCCc1ccccc1.
What is the InChIKey of 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one?
The InChIKey is QVACKHHEVNHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-19-17-12-15-22-18(17)11-14-20(19)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12,15H,1-2,4,7-8,11,13-14H2.
What are the key properties of 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one?
5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one has a molecular weight of 297.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 19600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).